3-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(4-ethylpiperazino)-2-keto-ethyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CCN1CCN(CC1)C(=O)CN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C19H23N5O3S/c1-3-22-6-8-23(9-7-22)15(25)11-24-18(26)17-16(21-19(24)28)13-10-12(27-2)4-5-14(13)20-17/h4-5,10,20H,3,6-9,11H2,1-2H3,(H,21,28)